在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 6 Reference Ions Near m/z 881.5701
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000047474 Unreliable 881.5624 881.5624 ~ 881.5624
MzDiff: none
PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000194555)
Formula: C48H81O12P (880.5465)
2.27 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047545 Unreliable 881.5714 881.5714 ~ 881.5714
MzDiff: none
PE(22:4(7Z,10Z,13Z,16Z)/PGE2) (BioDeep_00000209046)
Formula: C47H78NO11P (863.5312)
2.24 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047675 Unreliable 881.58 881.58 ~ 881.58
MzDiff: none
PG(a-21:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000195913)
Formula: C49H85O11P (880.5829)
2.18 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051894 Unreliable 881.564 881.564 ~ 881.564
MzDiff: none
PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000194555)
Formula: C48H81O12P (880.5465)
2.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065641 Unreliable 881.5689 881.5689 ~ 881.5689
MzDiff: 0.3 ppm
PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000194555)
Formula: C48H81O12P (880.5465)
2.24 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065698 Unreliable 881.5701 881.5701 ~ 881.5701
MzDiff: none
PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000194555)
Formula: C48H81O12P (880.5465)
1.77 (100%) Homo sapiens
[UBERON:0001155] colon

Found 11 Sample Hits
Metabolite Species Sample
PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C51H78NO8P (863.5465)
Adducts: [M+NH4]+ (Ppm: 7.8)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 18.2)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(DiMe(11,3)/MonoMe(11,5))

Formula: C47H80NO12P (881.5418)
Adducts: [M-H2O+NH4]+ (Ppm: 2.2)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.

PE(22:4(7Z,10Z,13Z,16Z)/PGE2)

Formula: C47H78NO11P (863.5312)
Adducts: [M+NH4]+ (Ppm: 7.2)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 19.2)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 16.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 17.1)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 18.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 17.1)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PG(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C48H81O12P (880.5465)
Adducts: [M+H]+ (Ppm: 17.7)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description

PG(a-21:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C49H85O11P (880.5829)
Adducts: [M+H]+ (Ppm: 19.2)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB